| CAS Number | 1154060-65-7 |
| Catalog Number | AG00HCZV(AGN-PC-0WAZ4C) |
| Chemical Name | 4-Bromo-3-methoxy-2-methylbenzoic acid |
| IUPAC Name | 4-bromo-3-methoxy-2-methylbenzoic acid |
| InChI | InChI=1S/C9H9BrO3/c1-5-6(9(11)12)3-4-7(10)8(5)13-2/h3-4H,1-2H3,(H,11,12) |
| InChI Key | QHVOVMWZJFFSEV-UHFFFAOYSA-N |
| MDL Number | MFCD16658634 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | c1(c(ccc(c1OC)Br)C(=O)O)C |
| Synonyms | 4-bromo-3-methoxy-2-methylbenzoic acid,
1154060-65-7,
SCHEMBL979782,
QHVOVMWZJFFSEV-UHFFFAOYSA-N,
AKOS026674768,
ZINC114960454,
FCH1346776,
KS-0000246F,
OR310897,
CS-4166,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.072g/mol |
| Monoisotopic Mass | 243.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number